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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	AC1MLIHO
Molecular formula	C14H18Cl2N2O4S
IUPAC name	[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
Molecular weight	381.268
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.9
Synonyms	SMR000601723 AKOS000738924 CHEMBL1581023 4,5-Dichloro-isothiazole-3-carboxylic acid 2-methyl-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-propyl ester [3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate ASN 06396792 MLS001193140 [ Show all ]
Inchi Key	CCZMFGXGYJBMLG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H18Cl2N2O4S/c1-7(2)11(13(19)17-6-8-4-3-5-21-8)22-14(20)10-9(15)12(16)23-18-10/h7-8,11H,3-6H2,1-2H3,(H,17,19)
PubChem CID	3220371
ChEMBL	CHEMBL1581023
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
467726	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
39082	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
39081	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
39080	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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